ethyl 4-[[4-[(2-methyl-1,3-oxazol-5-yl)methylamino]pyrimidin-5-yl]carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[(2-methyl-1,3-oxazol-5-yl)methylamino]pyrimidin-5-yl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[(2-methyloxazol-5-yl)methylamino]pyrimidin-5-yl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[[4-[(2-methyl-5-oxazolyl)methylamino]-5-pyrimidinyl]amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(2-methyl-1,3-oxazol-5-yl)methylamino]pyrimidin-5-yl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(2-methyloxazol-5-yl)methylamino]pyrimidin-5-yl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C18H25N7O3S MolecularWeight: 419.5012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CN=CN=C2NCC3=CN=C(O3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CN=CN=C2NCC3=CN=C(O3)C

InChI

InChI=1S/C18H25N7O3S/c1-3-27-18(26)25-6-4-13(5-7-25)23-17(29)24-15-10-19-11-22-16(15)21-9-14-8-20-12(2)28-14/h8,10-11,13H,3-7,9H2,1-2H3,(H,19,21,22)(H2,23,24,29)